Bicarbonate Ion → HCID 67406489, compound

HRID 114707Notes

Reaction equation

HRID 114707 reaction equation
[CH2:46]1[O:47][CH2:48][CH2:49][CH2:50]1.[CH3:43][C:44]#[N:45].[F:5][C:6]([c:7]1[cH:8][c:9]([NH:13][C:14](=[O:15])[c:16]2[cH:17][cH:18][cH:19][c:20]3[cH:21][c:22]([O:26][c:27]4[n:28][cH:29][n:30][c:31]([CH2:33][OH:34])[cH:32]4)[cH:23][cH:24][c:25]23)[cH:10][cH:11][cH:12]1)([F:35])[F:36].[Na+:41].[O-:37][C:38]([OH:39])=[O:40].[OH2:42].[S:1]([Cl:2])([Cl:3])=[O:4]>>[Cl:3][CH2:33][c:31]1[n:30][cH:29][n:28][c:27]([O:26][c:22]2[cH:21][c:20]3[cH:19][cH:18][cH:17][c:16]([C:14]([NH:13][c:9]4[cH:8][c:7]([C:6]([F:5])([F:35])[F:36])[cH:12][cH:11][cH:10]4)=[O:15])[c:25]3[cH:24][cH:23]2)[cH:32]1

Participants

8

Reactant 7

HCID 769Bicarbonate IonHCID 923Sodium ionHCID 962WaterHCID 6342AcetonitrileHCID 8028TetrahydrofuranHCID 24386Thionyl ChlorideHCID 24756034BFH772

Product 1

HCID 67406489HCID 67406489, compound

Sources & evidence

ORD record
ord-dd095131c5814515bb0cf8ad8ac05388
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

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